Basic information
- CAS
1974-09-0- Standard SMILES
CC[NH+](CC)CCSc1nc2ccccc2o1.[Cl-]- InChIKey
JKNPMGZNQHLDFS-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2OS
- Average molar mass
- 286.82 g/mol
- Monoisotopic mass
- 286.0906621
Names & identifiers
- Preferred name
- Ethanamine, 2-(2-benzoxazolylthio)-N,N-diethyl-, hydrochloride (1:1)
- IUPAC
- 2-(1,3-benzoxazol-2-ylsulfanyl)ethyl-diethylazanium chloride
Names & synonyms
1974-09-0RefChem:1084295Ethanamine, 2-(2-benzoxazolylthio)-N,N-diethyl-, hydrochloride (1:1)2-((2-(Diethylamino)ethyl)thio)benzoxazole hydrochlorideBENZOXAZOLE, 2-((2-(DIETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE
Database identifiers
- CAS
1974-09-0- PubChem CID
- 16092
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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